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CAS 391248-24-1 5-(4-HYDROXY-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 391248-24-1

5-(4-HYDROXY-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260627 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS391248-24-1
  • Purity/Analytical Methods: >99.0%
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391248-24-1 / ethyl 5-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate

Standard CAS: 391248-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
391248-24-1
Multi CAS
No
Molecular Formula
C12H11NO4
Molecular Weight
233.220000
Exact Mass
233.068808
InChI
InChI=1S/C12H11NO4/c1-2-16-12(15)10-11(17-7-13-10)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3
InChIKey
MWGLPVVMBIZBNR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.56
TPSA
72.56

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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